1-[3-(1H-benzimidazol-2-yl)propanoyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide

C18H21N7O2 — CID 156611213

IUPAC1-[3-(1H-benzimidazol-2-yl)propanoyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide
SMILESCc1nc(C2CN(C(=O)CCc3nc4ccccc4[nH]3)CC2C(N)=O)n[nH]1
InChIInChI=1S/C18H21N7O2/c1-10-20-18(24-23-10)12-9-25(8-11(12)17(19)27)16(26)7-6-15-21-13-4-2-3-5-14(13)22-15/h2-5,11-12H,6-9H2,1H3,(H2,19,27)(H,21,22)(H,20,23,24)
InChIKeyHLVAICLZBJVPRV-UHFFFAOYSA-N
MW367.41 g/mol
LogP0.65
Rot. Bonds5

About 1-[3-(1H-benzimidazol-2-yl)propanoyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide

1-[3-(1H-benzimidazol-2-yl)propanoyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide (PubChem CID 156611213) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-[3-(1H-benzimidazol-2-yl)propanoyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(1H-benzimidazol-2-yl)propanoyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide
PubChem CID156611213
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name1-[3-(1H-benzimidazol-2-yl)propanoyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide
SMILESCc1nc(C2CN(C(=O)CCc3nc4ccccc4[nH]3)CC2C(N)=O)n[nH]1
InChIInChI=1S/C18H21N7O2/c1-10-20-18(24-23-10)12-9-25(8-11(12)17(19)27)16(26)7-6-15-21-13-4-2-3-5-14(13)22-15/h2-5,11-12H,6-9H2,1H3,(H2,19,27)(H,21,22)(H,20,23,24)
InChIKeyHLVAICLZBJVPRV-UHFFFAOYSA-N
XLogP0.65
TPSA133.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4S)-1-[3-(1,3-benzothiazol-2-yl)propanoyl]-N-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide
CID 91911187
3-(1H-benzimidazol-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 18145539
3-(1H-benzimidazol-2-yl)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 154735503
1-[3-(1H-benzimidazol-2-yl)propanoyl]pyrrolidine-3-sulfonamide
CID 154738785
3-(1H-benzimidazol-2-yl)-1-[(3R,4R)-3-(hydroxymethyl)-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 72937446
ethyl (3R)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-3-carboxylate
CID 40512693
4-[(3S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136722535
3-(1H-benzimidazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one
CID 17446698
3-(1H-benzimidazol-2-yl)-1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 125018164
3-(1H-benzimidazol-2-yl)-1-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]propan-1-one
CID 125017351
3-[(3R)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-3-yl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 95218585
(2S)-1-acetyl-4-[3-(1H-benzimidazol-2-yl)propanoyl]-N-methylpiperazine-2-carboxamide
CID 125008235

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-benzimidazol-2-yl)propanoyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-[3-(1H-benzimidazol-2-yl)propanoyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide (CID 156611213) is 1-[3-(1H-benzimidazol-2-yl)propanoyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[3-(1H-benzimidazol-2-yl)propanoyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[3-(1H-benzimidazol-2-yl)propanoyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide is Cc1nc(C2CN(C(=O)CCc3nc4ccccc4[nH]3)CC2C(N)=O)n[nH]1.
What is the InChIKey of 1-[3-(1H-benzimidazol-2-yl)propanoyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide?
The InChIKey is HLVAICLZBJVPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-10-20-18(24-23-10)12-9-25(8-11(12)17(19)27)16(26)7-6-15-21-13-4-2-3-5-14(13)22-15/h2-5,11-12H,6-9H2,1H3,(H2,19,27)(H,21,22)(H,20,23,24).
What are the key properties of 1-[3-(1H-benzimidazol-2-yl)propanoyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide?
1-[3-(1H-benzimidazol-2-yl)propanoyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-benzimidazol-2-yl)propanoyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 156611213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).